(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid
TL;DR: (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid (CAS 301683-08-9) is a chemical compound with molecular formula C13H11ClO5 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid
Also Known As: (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid, 2-[(6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-propanoic acid
| Molecular Formula | C13H11ClO5 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0295 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 301683-08-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H](C)C(=O)O |
| InChIKey | UBJGTVXAFAIJDS-ZETCQYMHSA-N |
Product Overview
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid (CAS 301683-08-9), with molecular formula C13H11ClO5 and molecular weight 282.03 g/mol. IUPAC: (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid.
Chemical Property Profile of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid
Property Insights of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid. Following Lipinski's Rule of Five, (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid?
The CAS number of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid is 301683-08-9.
What is the molecular formula of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid?
The molecular formula of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid is C13H11ClO5.
What is the molecular weight of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid?
The molecular weight of (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid is 282.03 g/mol.
Where can I buy (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid?
You can request a quote for (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.